USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 418 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 55:sc= 0.594 USER MOD Single : A 78 ASN : amide:sc= -0.282 K(o=-0.28,f=-0.81) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 98:sc= -0.257 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 30:sc= 1.12 USER MOD Single : A 94 ASN : amide:sc= -5.92! C(o=-5.9!,f=-19!) USER MOD Single : A 95 HIS : no HD1:sc=-0.000718 X(o=-0.00072,f=-0.28) USER MOD Single : A 96 ASN : amide:sc= -0.297 X(o=-0.3,f=0) USER MOD Single : A 100 CYS SG : rot -125:sc= 1.55 USER MOD Single : A 103 GLN : amide:sc= -3.35! C(o=-3.4!,f=-6.2!) USER MOD Single : A 104 THR OG1 : rot -110:sc= -0.484 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -0.172 X(o=-0.17,f=-0.43) USER MOD Single : A 108 GLN : amide:sc= -0.316 K(o=-0.32,f=-2.5!) USER MOD Single : A 113 SER OG : rot -21:sc= 0.374 USER MOD Single : A 114 ASN : amide:sc= -0.106 X(o=-0.11,f=-0.46) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 180:sc= -1.37 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 12 N LEU A 65 4.354 0.000 -2.025 1.00 1.00 N ATOM 13 CA LEU A 65 5.801 0.000 -1.899 1.00 1.00 C ATOM 14 C LEU A 65 6.268 1.380 -1.431 1.00 1.00 C ATOM 15 O LEU A 65 5.452 2.273 -1.210 1.00 1.00 O ATOM 16 CB LEU A 65 6.453 -0.460 -3.204 1.00 1.00 C ATOM 17 CG LEU A 65 6.699 -1.964 -3.338 1.00 1.00 C ATOM 18 CD1 LEU A 65 7.664 -2.460 -2.259 1.00 1.00 C ATOM 19 CD2 LEU A 65 5.379 -2.738 -3.326 1.00 1.00 C ATOM 0 HA LEU A 65 6.117 -0.718 -1.142 1.00 1.00 H new ATOM 0 HB2 LEU A 65 5.823 -0.140 -4.034 1.00 1.00 H new ATOM 0 HB3 LEU A 65 7.408 0.055 -3.311 1.00 1.00 H new ATOM 0 HG LEU A 65 7.172 -2.148 -4.302 1.00 1.00 H new ATOM 0 HD11 LEU A 65 7.822 -3.532 -2.377 1.00 1.00 H new ATOM 0 HD12 LEU A 65 8.617 -1.940 -2.356 1.00 1.00 H new ATOM 0 HD13 LEU A 65 7.242 -2.262 -1.274 1.00 1.00 H new ATOM 0 HD21 LEU A 65 5.582 -3.805 -3.423 1.00 1.00 H new ATOM 0 HD22 LEU A 65 4.856 -2.552 -2.388 1.00 1.00 H new ATOM 0 HD23 LEU A 65 4.757 -2.410 -4.159 1.00 1.00 H new ATOM 31 N PHE A 66 7.580 1.511 -1.295 1.00 1.00 N ATOM 32 CA PHE A 66 8.165 2.767 -0.857 1.00 1.00 C ATOM 33 C PHE A 66 8.987 3.408 -1.977 1.00 1.00 C ATOM 34 O PHE A 66 9.440 2.720 -2.891 1.00 1.00 O ATOM 35 CB PHE A 66 9.089 2.445 0.318 1.00 1.00 C ATOM 36 CG PHE A 66 8.570 1.332 1.231 1.00 1.00 C ATOM 37 CD1 PHE A 66 8.699 0.031 0.858 1.00 1.00 C ATOM 38 CD2 PHE A 66 7.980 1.645 2.416 1.00 1.00 C ATOM 39 CE1 PHE A 66 8.217 -1.002 1.706 1.00 1.00 C ATOM 40 CE2 PHE A 66 7.498 0.612 3.263 1.00 1.00 C ATOM 41 CZ PHE A 66 7.627 -0.689 2.890 1.00 1.00 C ATOM 0 H PHE A 66 8.254 0.768 -1.480 1.00 1.00 H new ATOM 0 HA PHE A 66 7.378 3.466 -0.575 1.00 1.00 H new ATOM 0 HB2 PHE A 66 10.066 2.157 -0.070 1.00 1.00 H new ATOM 0 HB3 PHE A 66 9.235 3.348 0.910 1.00 1.00 H new ATOM 0 HD1 PHE A 66 9.168 -0.217 -0.083 1.00 1.00 H new ATOM 0 HD2 PHE A 66 7.878 2.678 2.713 1.00 1.00 H new ATOM 0 HE1 PHE A 66 8.319 -2.036 1.410 1.00 1.00 H new ATOM 0 HE2 PHE A 66 7.029 0.860 4.204 1.00 1.00 H new ATOM 0 HZ PHE A 66 7.261 -1.474 3.535 1.00 1.00 H new ATOM 51 N VAL A 67 9.155 4.718 -1.869 1.00 1.00 N ATOM 52 CA VAL A 67 9.915 5.459 -2.861 1.00 1.00 C ATOM 53 C VAL A 67 11.084 6.170 -2.175 1.00 1.00 C ATOM 54 O VAL A 67 10.940 6.677 -1.064 1.00 1.00 O ATOM 55 CB VAL A 67 8.993 6.418 -3.618 1.00 1.00 C ATOM 56 CG1 VAL A 67 8.428 5.756 -4.876 1.00 1.00 C ATOM 57 CG2 VAL A 67 7.869 6.926 -2.713 1.00 1.00 C ATOM 0 H VAL A 67 8.778 5.285 -1.110 1.00 1.00 H new ATOM 0 HA VAL A 67 10.337 4.781 -3.603 1.00 1.00 H new ATOM 0 HB VAL A 67 9.586 7.278 -3.930 1.00 1.00 H new ATOM 0 HG11 VAL A 67 7.776 6.459 -5.395 1.00 1.00 H new ATOM 0 HG12 VAL A 67 9.247 5.467 -5.534 1.00 1.00 H new ATOM 0 HG13 VAL A 67 7.857 4.871 -4.596 1.00 1.00 H new ATOM 0 HG21 VAL A 67 7.228 7.605 -3.275 1.00 1.00 H new ATOM 0 HG22 VAL A 67 7.279 6.082 -2.357 1.00 1.00 H new ATOM 0 HG23 VAL A 67 8.298 7.453 -1.861 1.00 1.00 H new ATOM 67 N ALA A 68 12.214 6.184 -2.866 1.00 1.00 N ATOM 68 CA ALA A 68 13.406 6.825 -2.338 1.00 1.00 C ATOM 69 C ALA A 68 13.209 8.342 -2.341 1.00 1.00 C ATOM 70 O ALA A 68 12.649 8.897 -3.285 1.00 1.00 O ATOM 71 CB ALA A 68 14.624 6.394 -3.158 1.00 1.00 C ATOM 0 H ALA A 68 12.329 5.762 -3.787 1.00 1.00 H new ATOM 0 HA ALA A 68 13.581 6.518 -1.307 1.00 1.00 H new ATOM 0 HB1 ALA A 68 15.518 6.875 -2.762 1.00 1.00 H new ATOM 0 HB2 ALA A 68 14.738 5.312 -3.099 1.00 1.00 H new ATOM 0 HB3 ALA A 68 14.485 6.688 -4.198 1.00 1.00 H new ATOM 77 N LEU A 69 13.681 8.970 -1.274 1.00 1.00 N ATOM 78 CA LEU A 69 13.563 10.412 -1.141 1.00 1.00 C ATOM 79 C LEU A 69 14.940 11.052 -1.334 1.00 1.00 C ATOM 80 O LEU A 69 15.210 11.649 -2.375 1.00 1.00 O ATOM 81 CB LEU A 69 12.897 10.776 0.188 1.00 1.00 C ATOM 82 CG LEU A 69 11.521 11.437 0.089 1.00 1.00 C ATOM 83 CD1 LEU A 69 11.016 11.860 1.470 1.00 1.00 C ATOM 84 CD2 LEU A 69 11.544 12.607 -0.896 1.00 1.00 C ATOM 0 H LEU A 69 14.146 8.506 -0.493 1.00 1.00 H new ATOM 0 HA LEU A 69 12.912 10.814 -1.917 1.00 1.00 H new ATOM 0 HB2 LEU A 69 12.800 9.868 0.784 1.00 1.00 H new ATOM 0 HB3 LEU A 69 13.562 11.446 0.733 1.00 1.00 H new ATOM 0 HG LEU A 69 10.816 10.702 -0.301 1.00 1.00 H new ATOM 0 HD11 LEU A 69 10.036 12.327 1.372 1.00 1.00 H new ATOM 0 HD12 LEU A 69 10.937 10.983 2.113 1.00 1.00 H new ATOM 0 HD13 LEU A 69 11.715 12.571 1.911 1.00 1.00 H new ATOM 0 HD21 LEU A 69 10.553 13.059 -0.947 1.00 1.00 H new ATOM 0 HD22 LEU A 69 12.266 13.352 -0.560 1.00 1.00 H new ATOM 0 HD23 LEU A 69 11.829 12.245 -1.884 1.00 1.00 H new ATOM 96 N TYR A 70 15.774 10.904 -0.315 1.00 1.00 N ATOM 97 CA TYR A 70 17.115 11.460 -0.360 1.00 1.00 C ATOM 98 C TYR A 70 18.124 10.420 -0.852 1.00 1.00 C ATOM 99 O TYR A 70 17.816 9.230 -0.908 1.00 1.00 O ATOM 100 CB TYR A 70 17.460 11.846 1.079 1.00 1.00 C ATOM 101 CG TYR A 70 16.268 12.364 1.887 1.00 1.00 C ATOM 102 CD1 TYR A 70 15.453 11.477 2.560 1.00 1.00 C ATOM 103 CD2 TYR A 70 16.009 13.719 1.943 1.00 1.00 C ATOM 104 CE1 TYR A 70 14.331 11.965 3.320 1.00 1.00 C ATOM 105 CE2 TYR A 70 14.888 14.207 2.703 1.00 1.00 C ATOM 106 CZ TYR A 70 14.104 13.306 3.354 1.00 1.00 C ATOM 107 OH TYR A 70 13.045 13.766 4.072 1.00 1.00 O ATOM 0 H TYR A 70 15.547 10.407 0.546 1.00 1.00 H new ATOM 0 HA TYR A 70 17.155 12.309 -1.042 1.00 1.00 H new ATOM 0 HB2 TYR A 70 17.880 10.978 1.587 1.00 1.00 H new ATOM 0 HB3 TYR A 70 18.235 12.612 1.063 1.00 1.00 H new ATOM 0 HD1 TYR A 70 15.656 10.417 2.517 1.00 1.00 H new ATOM 0 HD2 TYR A 70 16.648 14.413 1.417 1.00 1.00 H new ATOM 0 HE1 TYR A 70 13.685 11.282 3.851 1.00 1.00 H new ATOM 0 HE2 TYR A 70 14.674 15.264 2.755 1.00 1.00 H new ATOM 0 HH TYR A 70 13.006 14.743 4.007 1.00 1.00 H new ATOM 117 N ASP A 71 19.307 10.906 -1.195 1.00 1.00 N ATOM 118 CA ASP A 71 20.363 10.033 -1.681 1.00 1.00 C ATOM 119 C ASP A 71 21.225 9.578 -0.501 1.00 1.00 C ATOM 120 O ASP A 71 21.042 10.044 0.622 1.00 1.00 O ATOM 121 CB ASP A 71 21.268 10.763 -2.675 1.00 1.00 C ATOM 122 CG ASP A 71 21.848 12.085 -2.170 1.00 1.00 C ATOM 123 OD1 ASP A 71 21.470 12.479 -1.045 1.00 1.00 O ATOM 124 OD2 ASP A 71 22.657 12.673 -2.921 1.00 1.00 O ATOM 0 H ASP A 71 19.559 11.893 -1.146 1.00 1.00 H new ATOM 0 HA ASP A 71 19.896 9.182 -2.177 1.00 1.00 H new ATOM 0 HB2 ASP A 71 22.091 10.102 -2.947 1.00 1.00 H new ATOM 0 HB3 ASP A 71 20.701 10.957 -3.585 1.00 1.00 H new ATOM 129 N PHE A 72 22.147 8.675 -0.798 1.00 1.00 N ATOM 130 CA PHE A 72 23.039 8.152 0.224 1.00 1.00 C ATOM 131 C PHE A 72 24.469 8.029 -0.306 1.00 1.00 C ATOM 132 O PHE A 72 24.678 7.629 -1.451 1.00 1.00 O ATOM 133 CB PHE A 72 22.524 6.760 0.597 1.00 1.00 C ATOM 134 CG PHE A 72 23.308 6.090 1.728 1.00 1.00 C ATOM 135 CD1 PHE A 72 24.576 5.649 1.508 1.00 1.00 C ATOM 136 CD2 PHE A 72 22.736 5.935 2.952 1.00 1.00 C ATOM 137 CE1 PHE A 72 25.302 5.027 2.557 1.00 1.00 C ATOM 138 CE2 PHE A 72 23.463 5.312 4.001 1.00 1.00 C ATOM 139 CZ PHE A 72 24.731 4.871 3.781 1.00 1.00 C ATOM 0 H PHE A 72 22.296 8.292 -1.731 1.00 1.00 H new ATOM 0 HA PHE A 72 23.055 8.824 1.082 1.00 1.00 H new ATOM 0 HB2 PHE A 72 21.477 6.837 0.890 1.00 1.00 H new ATOM 0 HB3 PHE A 72 22.561 6.121 -0.285 1.00 1.00 H new ATOM 0 HD1 PHE A 72 25.030 5.772 0.536 1.00 1.00 H new ATOM 0 HD2 PHE A 72 21.729 6.285 3.126 1.00 1.00 H new ATOM 0 HE1 PHE A 72 26.309 4.677 2.383 1.00 1.00 H new ATOM 0 HE2 PHE A 72 23.009 5.188 4.973 1.00 1.00 H new ATOM 0 HZ PHE A 72 25.284 4.397 4.578 1.00 1.00 H new ATOM 149 N VAL A 73 25.416 8.380 0.551 1.00 1.00 N ATOM 150 CA VAL A 73 26.820 8.313 0.183 1.00 1.00 C ATOM 151 C VAL A 73 27.572 7.463 1.209 1.00 1.00 C ATOM 152 O VAL A 73 27.896 7.938 2.296 1.00 1.00 O ATOM 153 CB VAL A 73 27.391 9.726 0.043 1.00 1.00 C ATOM 154 CG1 VAL A 73 27.065 10.574 1.273 1.00 1.00 C ATOM 155 CG2 VAL A 73 28.900 9.684 -0.210 1.00 1.00 C ATOM 0 H VAL A 73 25.239 8.712 1.499 1.00 1.00 H new ATOM 0 HA VAL A 73 26.939 7.831 -0.787 1.00 1.00 H new ATOM 0 HB VAL A 73 26.919 10.194 -0.821 1.00 1.00 H new ATOM 0 HG11 VAL A 73 27.482 11.573 1.147 1.00 1.00 H new ATOM 0 HG12 VAL A 73 25.984 10.645 1.390 1.00 1.00 H new ATOM 0 HG13 VAL A 73 27.496 10.110 2.160 1.00 1.00 H new ATOM 0 HG21 VAL A 73 29.281 10.701 -0.306 1.00 1.00 H new ATOM 0 HG22 VAL A 73 29.395 9.188 0.625 1.00 1.00 H new ATOM 0 HG23 VAL A 73 29.100 9.134 -1.129 1.00 1.00 H new ATOM 165 N ALA A 74 27.829 6.221 0.826 1.00 1.00 N ATOM 166 CA ALA A 74 28.537 5.300 1.699 1.00 1.00 C ATOM 167 C ALA A 74 30.024 5.659 1.713 1.00 1.00 C ATOM 168 O ALA A 74 30.431 6.659 1.123 1.00 1.00 O ATOM 169 CB ALA A 74 28.287 3.864 1.237 1.00 1.00 C ATOM 0 H ALA A 74 27.560 5.831 -0.077 1.00 1.00 H new ATOM 0 HA ALA A 74 28.169 5.381 2.722 1.00 1.00 H new ATOM 0 HB1 ALA A 74 28.818 3.173 1.892 1.00 1.00 H new ATOM 0 HB2 ALA A 74 27.219 3.651 1.274 1.00 1.00 H new ATOM 0 HB3 ALA A 74 28.646 3.743 0.215 1.00 1.00 H new ATOM 175 N SER A 75 30.795 4.823 2.392 1.00 1.00 N ATOM 176 CA SER A 75 32.229 5.039 2.490 1.00 1.00 C ATOM 177 C SER A 75 32.961 3.696 2.499 1.00 1.00 C ATOM 178 O SER A 75 33.625 3.353 3.477 1.00 1.00 O ATOM 179 CB SER A 75 32.580 5.843 3.744 1.00 1.00 C ATOM 180 OG SER A 75 32.278 5.128 4.939 1.00 1.00 O ATOM 0 H SER A 75 30.454 3.995 2.880 1.00 1.00 H new ATOM 0 HA SER A 75 32.549 5.614 1.621 1.00 1.00 H new ATOM 0 HB2 SER A 75 33.641 6.093 3.729 1.00 1.00 H new ATOM 0 HB3 SER A 75 32.031 6.785 3.736 1.00 1.00 H new ATOM 0 HG SER A 75 32.721 4.254 4.918 1.00 1.00 H new ATOM 186 N GLY A 76 32.816 2.972 1.399 1.00 1.00 N ATOM 187 CA GLY A 76 33.456 1.674 1.268 1.00 1.00 C ATOM 188 C GLY A 76 33.086 0.760 2.438 1.00 1.00 C ATOM 189 O GLY A 76 33.771 0.745 3.459 1.00 1.00 O ATOM 0 H GLY A 76 32.265 3.259 0.590 1.00 1.00 H new ATOM 0 HA2 GLY A 76 33.155 1.209 0.329 1.00 1.00 H new ATOM 0 HA3 GLY A 76 34.538 1.800 1.228 1.00 1.00 H new ATOM 193 N ASP A 77 32.004 0.019 2.249 1.00 1.00 N ATOM 194 CA ASP A 77 31.534 -0.896 3.275 1.00 1.00 C ATOM 195 C ASP A 77 30.461 -1.812 2.684 1.00 1.00 C ATOM 196 O ASP A 77 30.138 -1.713 1.502 1.00 1.00 O ATOM 197 CB ASP A 77 30.913 -0.136 4.449 1.00 1.00 C ATOM 198 CG ASP A 77 31.580 1.202 4.778 1.00 1.00 C ATOM 199 OD1 ASP A 77 31.276 2.179 4.061 1.00 1.00 O ATOM 200 OD2 ASP A 77 32.378 1.216 5.740 1.00 1.00 O ATOM 0 H ASP A 77 31.439 0.034 1.400 1.00 1.00 H new ATOM 0 HA ASP A 77 32.389 -1.471 3.630 1.00 1.00 H new ATOM 0 HB2 ASP A 77 29.860 0.044 4.230 1.00 1.00 H new ATOM 0 HB3 ASP A 77 30.950 -0.771 5.334 1.00 1.00 H new ATOM 205 N ASN A 78 29.938 -2.684 3.534 1.00 1.00 N ATOM 206 CA ASN A 78 28.908 -3.617 3.111 1.00 1.00 C ATOM 207 C ASN A 78 27.658 -2.837 2.699 1.00 1.00 C ATOM 208 O ASN A 78 26.749 -3.394 2.086 1.00 1.00 O ATOM 209 CB ASN A 78 28.521 -4.564 4.249 1.00 1.00 C ATOM 210 CG ASN A 78 29.763 -5.081 4.977 1.00 1.00 C ATOM 211 OD1 ASN A 78 30.829 -5.241 4.405 1.00 1.00 O ATOM 212 ND2 ASN A 78 29.567 -5.334 6.268 1.00 1.00 N ATOM 0 H ASN A 78 30.209 -2.764 4.514 1.00 1.00 H new ATOM 0 HA ASN A 78 29.301 -4.198 2.277 1.00 1.00 H new ATOM 0 HB2 ASN A 78 27.871 -4.045 4.954 1.00 1.00 H new ATOM 0 HB3 ASN A 78 27.952 -5.404 3.850 1.00 1.00 H new ATOM 0 HD21 ASN A 78 30.335 -5.684 6.841 1.00 1.00 H new ATOM 0 HD22 ASN A 78 28.649 -5.178 6.685 1.00 1.00 H new ATOM 219 N THR A 79 27.652 -1.560 3.054 1.00 1.00 N ATOM 220 CA THR A 79 26.529 -0.698 2.729 1.00 1.00 C ATOM 221 C THR A 79 26.477 -0.434 1.223 1.00 1.00 C ATOM 222 O THR A 79 27.444 -0.698 0.509 1.00 1.00 O ATOM 223 CB THR A 79 26.653 0.577 3.566 1.00 1.00 C ATOM 224 OG1 THR A 79 25.552 0.509 4.468 1.00 1.00 O ATOM 225 CG2 THR A 79 26.387 1.842 2.748 1.00 1.00 C ATOM 0 H THR A 79 28.408 -1.102 3.564 1.00 1.00 H new ATOM 0 HA THR A 79 25.580 -1.175 2.976 1.00 1.00 H new ATOM 0 HB THR A 79 27.651 0.629 4.002 1.00 1.00 H new ATOM 0 HG1 THR A 79 25.557 1.297 5.050 1.00 1.00 H new ATOM 0 HG21 THR A 79 26.488 2.718 3.389 1.00 1.00 H new ATOM 0 HG22 THR A 79 27.106 1.905 1.932 1.00 1.00 H new ATOM 0 HG23 THR A 79 25.377 1.806 2.340 1.00 1.00 H new ATOM 233 N LEU A 80 25.340 0.085 0.784 1.00 1.00 N ATOM 234 CA LEU A 80 25.150 0.388 -0.625 1.00 1.00 C ATOM 235 C LEU A 80 24.493 1.763 -0.762 1.00 1.00 C ATOM 236 O LEU A 80 23.371 1.967 -0.301 1.00 1.00 O ATOM 237 CB LEU A 80 24.375 -0.736 -1.315 1.00 1.00 C ATOM 238 CG LEU A 80 24.521 -0.815 -2.836 1.00 1.00 C ATOM 239 CD1 LEU A 80 23.786 -2.036 -3.394 1.00 1.00 C ATOM 240 CD2 LEU A 80 24.060 0.484 -3.500 1.00 1.00 C ATOM 0 H LEU A 80 24.541 0.304 1.379 1.00 1.00 H new ATOM 0 HA LEU A 80 26.111 0.441 -1.137 1.00 1.00 H new ATOM 0 HB2 LEU A 80 24.696 -1.687 -0.889 1.00 1.00 H new ATOM 0 HB3 LEU A 80 23.318 -0.621 -1.077 1.00 1.00 H new ATOM 0 HG LEU A 80 25.578 -0.939 -3.072 1.00 1.00 H new ATOM 0 HD11 LEU A 80 23.905 -2.069 -4.477 1.00 1.00 H new ATOM 0 HD12 LEU A 80 24.202 -2.943 -2.955 1.00 1.00 H new ATOM 0 HD13 LEU A 80 22.726 -1.967 -3.148 1.00 1.00 H new ATOM 0 HD21 LEU A 80 24.174 0.401 -4.581 1.00 1.00 H new ATOM 0 HD22 LEU A 80 23.012 0.664 -3.259 1.00 1.00 H new ATOM 0 HD23 LEU A 80 24.664 1.314 -3.134 1.00 1.00 H new ATOM 252 N SER A 81 25.219 2.670 -1.398 1.00 1.00 N ATOM 253 CA SER A 81 24.721 4.020 -1.602 1.00 1.00 C ATOM 254 C SER A 81 23.636 4.019 -2.681 1.00 1.00 C ATOM 255 O SER A 81 23.321 2.975 -3.249 1.00 1.00 O ATOM 256 CB SER A 81 25.853 4.973 -1.989 1.00 1.00 C ATOM 257 OG SER A 81 25.687 5.493 -3.305 1.00 1.00 O ATOM 0 H SER A 81 26.149 2.497 -1.779 1.00 1.00 H new ATOM 0 HA SER A 81 24.292 4.372 -0.664 1.00 1.00 H new ATOM 0 HB2 SER A 81 25.893 5.797 -1.276 1.00 1.00 H new ATOM 0 HB3 SER A 81 26.806 4.449 -1.924 1.00 1.00 H new ATOM 0 HG SER A 81 25.280 6.383 -3.256 1.00 1.00 H new ATOM 263 N ILE A 82 23.094 5.202 -2.930 1.00 1.00 N ATOM 264 CA ILE A 82 22.051 5.352 -3.931 1.00 1.00 C ATOM 265 C ILE A 82 22.099 6.769 -4.504 1.00 1.00 C ATOM 266 O ILE A 82 22.694 7.664 -3.907 1.00 1.00 O ATOM 267 CB ILE A 82 20.689 4.971 -3.346 1.00 1.00 C ATOM 268 CG1 ILE A 82 20.848 4.273 -1.994 1.00 1.00 C ATOM 269 CG2 ILE A 82 19.883 4.127 -4.335 1.00 1.00 C ATOM 270 CD1 ILE A 82 19.505 4.168 -1.269 1.00 1.00 C ATOM 0 H ILE A 82 23.357 6.066 -2.456 1.00 1.00 H new ATOM 0 HA ILE A 82 22.219 4.667 -4.762 1.00 1.00 H new ATOM 0 HB ILE A 82 20.125 5.887 -3.171 1.00 1.00 H new ATOM 0 HG12 ILE A 82 21.264 3.276 -2.142 1.00 1.00 H new ATOM 0 HG13 ILE A 82 21.556 4.826 -1.377 1.00 1.00 H new ATOM 0 HG21 ILE A 82 18.920 3.870 -3.894 1.00 1.00 H new ATOM 0 HG22 ILE A 82 19.723 4.695 -5.252 1.00 1.00 H new ATOM 0 HG23 ILE A 82 20.432 3.214 -4.565 1.00 1.00 H new ATOM 0 HD11 ILE A 82 19.647 3.668 -0.311 1.00 1.00 H new ATOM 0 HD12 ILE A 82 19.103 5.167 -1.101 1.00 1.00 H new ATOM 0 HD13 ILE A 82 18.807 3.594 -1.878 1.00 1.00 H new ATOM 282 N THR A 83 21.465 6.929 -5.657 1.00 1.00 N ATOM 283 CA THR A 83 21.429 8.222 -6.318 1.00 1.00 C ATOM 284 C THR A 83 20.053 8.869 -6.149 1.00 1.00 C ATOM 285 O THR A 83 19.049 8.172 -6.007 1.00 1.00 O ATOM 286 CB THR A 83 21.829 8.017 -7.780 1.00 1.00 C ATOM 287 OG1 THR A 83 22.797 6.972 -7.732 1.00 1.00 O ATOM 288 CG2 THR A 83 22.598 9.211 -8.350 1.00 1.00 C ATOM 0 H THR A 83 20.972 6.184 -6.150 1.00 1.00 H new ATOM 0 HA THR A 83 22.137 8.917 -5.867 1.00 1.00 H new ATOM 0 HB THR A 83 20.936 7.841 -8.379 1.00 1.00 H new ATOM 0 HG1 THR A 83 23.109 6.773 -8.639 1.00 1.00 H new ATOM 0 HG21 THR A 83 22.858 9.014 -9.390 1.00 1.00 H new ATOM 0 HG22 THR A 83 21.976 10.104 -8.295 1.00 1.00 H new ATOM 0 HG23 THR A 83 23.509 9.367 -7.772 1.00 1.00 H new ATOM 296 N LYS A 84 20.050 10.194 -6.172 1.00 1.00 N ATOM 297 CA LYS A 84 18.813 10.942 -6.023 1.00 1.00 C ATOM 298 C LYS A 84 17.916 10.682 -7.235 1.00 1.00 C ATOM 299 O LYS A 84 18.326 10.013 -8.183 1.00 1.00 O ATOM 300 CB LYS A 84 19.109 12.424 -5.784 1.00 1.00 C ATOM 301 CG LYS A 84 19.347 13.156 -7.106 1.00 1.00 C ATOM 302 CD LYS A 84 18.224 14.155 -7.389 1.00 1.00 C ATOM 303 CE LYS A 84 18.490 15.491 -6.692 1.00 1.00 C ATOM 304 NZ LYS A 84 17.774 16.587 -7.382 1.00 1.00 N ATOM 0 H LYS A 84 20.884 10.769 -6.292 1.00 1.00 H new ATOM 0 HA LYS A 84 18.267 10.604 -5.143 1.00 1.00 H new ATOM 0 HB2 LYS A 84 18.275 12.884 -5.254 1.00 1.00 H new ATOM 0 HB3 LYS A 84 19.987 12.525 -5.145 1.00 1.00 H new ATOM 0 HG2 LYS A 84 20.303 13.679 -7.070 1.00 1.00 H new ATOM 0 HG3 LYS A 84 19.410 12.434 -7.920 1.00 1.00 H new ATOM 0 HD2 LYS A 84 18.135 14.313 -8.464 1.00 1.00 H new ATOM 0 HD3 LYS A 84 17.273 13.745 -7.047 1.00 1.00 H new ATOM 0 HE2 LYS A 84 18.168 15.436 -5.652 1.00 1.00 H new ATOM 0 HE3 LYS A 84 19.560 15.697 -6.683 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 17.965 17.486 -6.896 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 18.101 16.649 -8.367 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 16.752 16.397 -7.368 1.00 1.00 H new ATOM 318 N GLY A 85 16.709 11.224 -7.165 1.00 1.00 N ATOM 319 CA GLY A 85 15.751 11.059 -8.245 1.00 1.00 C ATOM 320 C GLY A 85 15.933 9.707 -8.937 1.00 1.00 C ATOM 321 O GLY A 85 15.860 9.618 -10.162 1.00 1.00 O ATOM 0 H GLY A 85 16.373 11.778 -6.377 1.00 1.00 H new ATOM 0 HA2 GLY A 85 14.737 11.137 -7.852 1.00 1.00 H new ATOM 0 HA3 GLY A 85 15.874 11.863 -8.971 1.00 1.00 H new ATOM 325 N GLU A 86 16.165 8.688 -8.123 1.00 1.00 N ATOM 326 CA GLU A 86 16.358 7.345 -8.642 1.00 1.00 C ATOM 327 C GLU A 86 15.175 6.453 -8.257 1.00 1.00 C ATOM 328 O GLU A 86 14.535 6.673 -7.230 1.00 1.00 O ATOM 329 CB GLU A 86 17.677 6.749 -8.147 1.00 1.00 C ATOM 330 CG GLU A 86 18.228 5.730 -9.147 1.00 1.00 C ATOM 331 CD GLU A 86 18.487 6.380 -10.507 1.00 1.00 C ATOM 332 OE1 GLU A 86 19.106 7.466 -10.509 1.00 1.00 O ATOM 333 OE2 GLU A 86 18.059 5.777 -11.515 1.00 1.00 O ATOM 0 H GLU A 86 16.224 8.765 -7.108 1.00 1.00 H new ATOM 0 HA GLU A 86 16.409 7.401 -9.729 1.00 1.00 H new ATOM 0 HB2 GLU A 86 18.406 7.545 -7.995 1.00 1.00 H new ATOM 0 HB3 GLU A 86 17.523 6.269 -7.181 1.00 1.00 H new ATOM 0 HG2 GLU A 86 19.154 5.302 -8.762 1.00 1.00 H new ATOM 0 HG3 GLU A 86 17.521 4.909 -9.262 1.00 1.00 H new ATOM 340 N LYS A 87 14.922 5.464 -9.102 1.00 1.00 N ATOM 341 CA LYS A 87 13.828 4.538 -8.863 1.00 1.00 C ATOM 342 C LYS A 87 14.279 3.469 -7.866 1.00 1.00 C ATOM 343 O LYS A 87 14.740 2.400 -8.263 1.00 1.00 O ATOM 344 CB LYS A 87 13.311 3.967 -10.185 1.00 1.00 C ATOM 345 CG LYS A 87 11.865 4.395 -10.440 1.00 1.00 C ATOM 346 CD LYS A 87 11.804 5.822 -10.989 1.00 1.00 C ATOM 347 CE LYS A 87 11.017 6.738 -10.049 1.00 1.00 C ATOM 348 NZ LYS A 87 10.626 7.983 -10.747 1.00 1.00 N ATOM 0 H LYS A 87 15.456 5.284 -9.952 1.00 1.00 H new ATOM 0 HA LYS A 87 12.981 5.057 -8.414 1.00 1.00 H new ATOM 0 HB2 LYS A 87 13.944 4.307 -11.004 1.00 1.00 H new ATOM 0 HB3 LYS A 87 13.374 2.879 -10.164 1.00 1.00 H new ATOM 0 HG2 LYS A 87 11.398 3.709 -11.147 1.00 1.00 H new ATOM 0 HG3 LYS A 87 11.295 4.334 -9.513 1.00 1.00 H new ATOM 0 HD2 LYS A 87 12.815 6.209 -11.118 1.00 1.00 H new ATOM 0 HD3 LYS A 87 11.336 5.817 -11.974 1.00 1.00 H new ATOM 0 HE2 LYS A 87 10.128 6.221 -9.688 1.00 1.00 H new ATOM 0 HE3 LYS A 87 11.622 6.979 -9.175 1.00 1.00 H new ATOM 0 HZ1 LYS A 87 10.093 8.594 -10.095 1.00 1.00 H new ATOM 0 HZ2 LYS A 87 11.479 8.483 -11.070 1.00 1.00 H new ATOM 0 HZ3 LYS A 87 10.031 7.749 -11.567 1.00 1.00 H new ATOM 362 N LEU A 88 14.130 3.795 -6.590 1.00 1.00 N ATOM 363 CA LEU A 88 14.517 2.876 -5.533 1.00 1.00 C ATOM 364 C LEU A 88 13.299 2.568 -4.661 1.00 1.00 C ATOM 365 O LEU A 88 12.627 3.480 -4.182 1.00 1.00 O ATOM 366 CB LEU A 88 15.709 3.430 -4.751 1.00 1.00 C ATOM 367 CG LEU A 88 15.936 2.831 -3.362 1.00 1.00 C ATOM 368 CD1 LEU A 88 17.286 3.270 -2.789 1.00 1.00 C ATOM 369 CD2 LEU A 88 14.778 3.170 -2.422 1.00 1.00 C ATOM 0 H LEU A 88 13.747 4.682 -6.265 1.00 1.00 H new ATOM 0 HA LEU A 88 14.855 1.930 -5.955 1.00 1.00 H new ATOM 0 HB2 LEU A 88 16.611 3.275 -5.344 1.00 1.00 H new ATOM 0 HB3 LEU A 88 15.579 4.507 -4.644 1.00 1.00 H new ATOM 0 HG LEU A 88 15.965 1.746 -3.459 1.00 1.00 H new ATOM 0 HD11 LEU A 88 17.422 2.830 -1.801 1.00 1.00 H new ATOM 0 HD12 LEU A 88 18.087 2.936 -3.448 1.00 1.00 H new ATOM 0 HD13 LEU A 88 17.311 4.357 -2.709 1.00 1.00 H new ATOM 0 HD21 LEU A 88 14.965 2.732 -1.442 1.00 1.00 H new ATOM 0 HD22 LEU A 88 14.693 4.252 -2.326 1.00 1.00 H new ATOM 0 HD23 LEU A 88 13.850 2.768 -2.828 1.00 1.00 H new ATOM 381 N ARG A 89 13.050 1.278 -4.481 1.00 1.00 N ATOM 382 CA ARG A 89 11.925 0.839 -3.674 1.00 1.00 C ATOM 383 C ARG A 89 12.352 -0.295 -2.740 1.00 1.00 C ATOM 384 O ARG A 89 13.076 -1.201 -3.148 1.00 1.00 O ATOM 385 CB ARG A 89 10.771 0.357 -4.555 1.00 1.00 C ATOM 386 CG ARG A 89 10.713 1.147 -5.864 1.00 1.00 C ATOM 387 CD ARG A 89 9.691 0.540 -6.827 1.00 1.00 C ATOM 388 NE ARG A 89 8.338 1.055 -6.521 1.00 1.00 N ATOM 389 CZ ARG A 89 7.903 2.274 -6.865 1.00 1.00 C ATOM 390 NH1 ARG A 89 8.711 3.112 -7.529 1.00 1.00 N ATOM 391 NH2 ARG A 89 6.659 2.657 -6.545 1.00 1.00 N ATOM 0 H ARG A 89 13.609 0.524 -4.881 1.00 1.00 H new ATOM 0 HA ARG A 89 11.587 1.691 -3.085 1.00 1.00 H new ATOM 0 HB2 ARG A 89 10.893 -0.704 -4.772 1.00 1.00 H new ATOM 0 HB3 ARG A 89 9.829 0.466 -4.018 1.00 1.00 H new ATOM 0 HG2 ARG A 89 10.450 2.184 -5.655 1.00 1.00 H new ATOM 0 HG3 ARG A 89 11.698 1.156 -6.331 1.00 1.00 H new ATOM 0 HD2 ARG A 89 9.958 0.785 -7.855 1.00 1.00 H new ATOM 0 HD3 ARG A 89 9.702 -0.547 -6.745 1.00 1.00 H new ATOM 0 HE ARG A 89 7.696 0.443 -6.016 1.00 1.00 H new ATOM 0 HH11 ARG A 89 9.658 2.821 -7.773 1.00 1.00 H new ATOM 0 HH12 ARG A 89 8.379 4.040 -7.791 1.00 1.00 H new ATOM 0 HH21 ARG A 89 6.043 2.020 -6.039 1.00 1.00 H new ATOM 0 HH22 ARG A 89 6.328 3.585 -6.807 1.00 1.00 H new ATOM 405 N VAL A 90 11.885 -0.208 -1.503 1.00 1.00 N ATOM 406 CA VAL A 90 12.209 -1.215 -0.508 1.00 1.00 C ATOM 407 C VAL A 90 11.341 -2.454 -0.740 1.00 1.00 C ATOM 408 O VAL A 90 10.129 -2.413 -0.538 1.00 1.00 O ATOM 409 CB VAL A 90 12.054 -0.631 0.898 1.00 1.00 C ATOM 410 CG1 VAL A 90 12.308 -1.697 1.966 1.00 1.00 C ATOM 411 CG2 VAL A 90 12.975 0.574 1.096 1.00 1.00 C ATOM 0 H VAL A 90 11.284 0.545 -1.167 1.00 1.00 H new ATOM 0 HA VAL A 90 13.250 -1.525 -0.604 1.00 1.00 H new ATOM 0 HB VAL A 90 11.025 -0.287 1.006 1.00 1.00 H new ATOM 0 HG11 VAL A 90 12.191 -1.255 2.956 1.00 1.00 H new ATOM 0 HG12 VAL A 90 11.593 -2.511 1.845 1.00 1.00 H new ATOM 0 HG13 VAL A 90 13.321 -2.085 1.859 1.00 1.00 H new ATOM 0 HG21 VAL A 90 12.845 0.970 2.103 1.00 1.00 H new ATOM 0 HG22 VAL A 90 14.012 0.266 0.958 1.00 1.00 H new ATOM 0 HG23 VAL A 90 12.726 1.346 0.368 1.00 1.00 H new ATOM 421 N LEU A 91 11.997 -3.526 -1.161 1.00 1.00 N ATOM 422 CA LEU A 91 11.300 -4.774 -1.422 1.00 1.00 C ATOM 423 C LEU A 91 11.747 -5.825 -0.405 1.00 1.00 C ATOM 424 O LEU A 91 11.180 -6.915 -0.344 1.00 1.00 O ATOM 425 CB LEU A 91 11.498 -5.203 -2.877 1.00 1.00 C ATOM 426 CG LEU A 91 10.281 -5.053 -3.792 1.00 1.00 C ATOM 427 CD1 LEU A 91 10.678 -5.202 -5.262 1.00 1.00 C ATOM 428 CD2 LEU A 91 9.173 -6.030 -3.396 1.00 1.00 C ATOM 0 H LEU A 91 13.003 -3.556 -1.328 1.00 1.00 H new ATOM 0 HA LEU A 91 10.225 -4.644 -1.295 1.00 1.00 H new ATOM 0 HB2 LEU A 91 12.318 -4.621 -3.298 1.00 1.00 H new ATOM 0 HB3 LEU A 91 11.809 -6.248 -2.888 1.00 1.00 H new ATOM 0 HG LEU A 91 9.882 -4.046 -3.667 1.00 1.00 H new ATOM 0 HD11 LEU A 91 9.794 -5.091 -5.891 1.00 1.00 H new ATOM 0 HD12 LEU A 91 11.407 -4.434 -5.522 1.00 1.00 H new ATOM 0 HD13 LEU A 91 11.116 -6.187 -5.423 1.00 1.00 H new ATOM 0 HD21 LEU A 91 8.320 -5.902 -4.062 1.00 1.00 H new ATOM 0 HD22 LEU A 91 9.544 -7.052 -3.474 1.00 1.00 H new ATOM 0 HD23 LEU A 91 8.864 -5.833 -2.369 1.00 1.00 H new ATOM 440 N GLY A 92 12.759 -5.461 0.369 1.00 1.00 N ATOM 441 CA GLY A 92 13.288 -6.360 1.381 1.00 1.00 C ATOM 442 C GLY A 92 13.243 -5.713 2.767 1.00 1.00 C ATOM 443 O GLY A 92 13.263 -4.489 2.885 1.00 1.00 O ATOM 0 H GLY A 92 13.227 -4.556 0.316 1.00 1.00 H new ATOM 0 HA2 GLY A 92 12.711 -7.285 1.389 1.00 1.00 H new ATOM 0 HA3 GLY A 92 14.315 -6.627 1.134 1.00 1.00 H new ATOM 447 N TYR A 93 13.182 -6.564 3.780 1.00 1.00 N ATOM 448 CA TYR A 93 13.133 -6.090 5.153 1.00 1.00 C ATOM 449 C TYR A 93 13.921 -7.017 6.081 1.00 1.00 C ATOM 450 O TYR A 93 13.972 -8.226 5.860 1.00 1.00 O ATOM 451 CB TYR A 93 11.658 -6.118 5.557 1.00 1.00 C ATOM 452 CG TYR A 93 10.994 -4.740 5.584 1.00 1.00 C ATOM 453 CD1 TYR A 93 10.815 -4.037 4.411 1.00 1.00 C ATOM 454 CD2 TYR A 93 10.575 -4.200 6.783 1.00 1.00 C ATOM 455 CE1 TYR A 93 10.190 -2.740 4.436 1.00 1.00 C ATOM 456 CE2 TYR A 93 9.950 -2.903 6.809 1.00 1.00 C ATOM 457 CZ TYR A 93 9.789 -2.237 5.634 1.00 1.00 C ATOM 458 OH TYR A 93 9.199 -1.012 5.659 1.00 1.00 O ATOM 0 H TYR A 93 13.165 -7.579 3.678 1.00 1.00 H new ATOM 0 HA TYR A 93 13.569 -5.094 5.231 1.00 1.00 H new ATOM 0 HB2 TYR A 93 11.114 -6.759 4.863 1.00 1.00 H new ATOM 0 HB3 TYR A 93 11.571 -6.571 6.544 1.00 1.00 H new ATOM 0 HD1 TYR A 93 11.144 -4.460 3.473 1.00 1.00 H new ATOM 0 HD2 TYR A 93 10.716 -4.750 7.702 1.00 1.00 H new ATOM 0 HE1 TYR A 93 10.043 -2.180 3.524 1.00 1.00 H new ATOM 0 HE2 TYR A 93 9.617 -2.469 7.740 1.00 1.00 H new ATOM 0 HH TYR A 93 8.718 -0.863 4.818 1.00 1.00 H new ATOM 468 N ASN A 94 14.517 -6.416 7.100 1.00 1.00 N ATOM 469 CA ASN A 94 15.300 -7.172 8.062 1.00 1.00 C ATOM 470 C ASN A 94 14.363 -8.038 8.907 1.00 1.00 C ATOM 471 O ASN A 94 13.221 -8.282 8.521 1.00 1.00 O ATOM 472 CB ASN A 94 16.062 -6.240 9.007 1.00 1.00 C ATOM 473 CG ASN A 94 15.120 -5.615 10.038 1.00 1.00 C ATOM 474 OD1 ASN A 94 14.972 -6.091 11.151 1.00 1.00 O ATOM 475 ND2 ASN A 94 14.494 -4.523 9.607 1.00 1.00 N ATOM 0 H ASN A 94 14.473 -5.413 7.280 1.00 1.00 H new ATOM 0 HA ASN A 94 16.012 -7.786 7.510 1.00 1.00 H new ATOM 0 HB2 ASN A 94 16.848 -6.797 9.518 1.00 1.00 H new ATOM 0 HB3 ASN A 94 16.551 -5.454 8.432 1.00 1.00 H new ATOM 0 HD21 ASN A 94 13.845 -4.032 10.221 1.00 1.00 H new ATOM 0 HD22 ASN A 94 14.663 -4.177 8.662 1.00 1.00 H new ATOM 482 N HIS A 95 14.882 -8.479 10.044 1.00 1.00 N ATOM 483 CA HIS A 95 14.106 -9.313 10.946 1.00 1.00 C ATOM 484 C HIS A 95 13.983 -8.622 12.306 1.00 1.00 C ATOM 485 O HIS A 95 14.524 -9.101 13.301 1.00 1.00 O ATOM 486 CB HIS A 95 14.711 -10.715 11.047 1.00 1.00 C ATOM 487 CG HIS A 95 13.819 -11.722 11.732 1.00 1.00 C ATOM 488 ND1 HIS A 95 13.868 -11.962 13.094 1.00 1.00 N ATOM 489 CD2 HIS A 95 12.854 -12.545 11.229 1.00 1.00 C ATOM 490 CE1 HIS A 95 12.970 -12.892 13.387 1.00 1.00 C ATOM 491 NE2 HIS A 95 12.343 -13.252 12.230 1.00 1.00 N ATOM 0 H HIS A 95 15.830 -8.275 10.361 1.00 1.00 H new ATOM 0 HA HIS A 95 13.099 -9.443 10.550 1.00 1.00 H new ATOM 0 HB2 HIS A 95 14.942 -11.073 10.044 1.00 1.00 H new ATOM 0 HB3 HIS A 95 15.655 -10.654 11.588 1.00 1.00 H new ATOM 0 HD2 HIS A 95 12.556 -12.610 10.193 1.00 1.00 H new ATOM 0 HE1 HIS A 95 12.770 -13.294 14.369 1.00 1.00 H new ATOM 0 HE2 HIS A 95 11.603 -13.950 12.148 1.00 1.00 H new ATOM 499 N ASN A 96 13.268 -7.506 12.304 1.00 1.00 N ATOM 500 CA ASN A 96 13.068 -6.744 13.524 1.00 1.00 C ATOM 501 C ASN A 96 12.379 -5.420 13.187 1.00 1.00 C ATOM 502 O ASN A 96 11.259 -5.169 13.629 1.00 1.00 O ATOM 503 CB ASN A 96 14.403 -6.423 14.200 1.00 1.00 C ATOM 504 CG ASN A 96 14.225 -5.367 15.292 1.00 1.00 C ATOM 505 OD1 ASN A 96 13.748 -5.638 16.382 1.00 1.00 O ATOM 506 ND2 ASN A 96 14.634 -4.151 14.940 1.00 1.00 N ATOM 0 H ASN A 96 12.820 -7.112 11.477 1.00 1.00 H new ATOM 0 HA ASN A 96 12.458 -7.344 14.199 1.00 1.00 H new ATOM 0 HB2 ASN A 96 14.823 -7.331 14.632 1.00 1.00 H new ATOM 0 HB3 ASN A 96 15.115 -6.065 13.456 1.00 1.00 H new ATOM 0 HD21 ASN A 96 14.558 -3.376 15.599 1.00 1.00 H new ATOM 0 HD22 ASN A 96 15.024 -3.993 14.011 1.00 1.00 H new ATOM 513 N GLY A 97 13.077 -4.609 12.406 1.00 1.00 N ATOM 514 CA GLY A 97 12.546 -3.317 12.004 1.00 1.00 C ATOM 515 C GLY A 97 13.583 -2.211 12.210 1.00 1.00 C ATOM 516 O GLY A 97 13.262 -1.144 12.732 1.00 1.00 O ATOM 0 H GLY A 97 14.005 -4.821 12.041 1.00 1.00 H new ATOM 0 HA2 GLY A 97 12.249 -3.352 10.956 1.00 1.00 H new ATOM 0 HA3 GLY A 97 11.649 -3.092 12.582 1.00 1.00 H new ATOM 520 N GLU A 98 14.804 -2.502 11.788 1.00 1.00 N ATOM 521 CA GLU A 98 15.890 -1.545 11.920 1.00 1.00 C ATOM 522 C GLU A 98 16.294 -1.009 10.545 1.00 1.00 C ATOM 523 O GLU A 98 16.420 0.200 10.359 1.00 1.00 O ATOM 524 CB GLU A 98 17.087 -2.170 12.639 1.00 1.00 C ATOM 525 CG GLU A 98 17.139 -1.729 14.103 1.00 1.00 C ATOM 526 CD GLU A 98 18.514 -2.010 14.712 1.00 1.00 C ATOM 527 OE1 GLU A 98 19.135 -3.004 14.276 1.00 1.00 O ATOM 528 OE2 GLU A 98 18.913 -1.226 15.599 1.00 1.00 O ATOM 0 H GLU A 98 15.066 -3.387 11.354 1.00 1.00 H new ATOM 0 HA GLU A 98 15.541 -0.709 12.526 1.00 1.00 H new ATOM 0 HB2 GLU A 98 17.021 -3.257 12.585 1.00 1.00 H new ATOM 0 HB3 GLU A 98 18.010 -1.881 12.136 1.00 1.00 H new ATOM 0 HG2 GLU A 98 16.917 -0.664 14.174 1.00 1.00 H new ATOM 0 HG3 GLU A 98 16.371 -2.253 14.672 1.00 1.00 H new ATOM 535 N TRP A 99 16.486 -1.935 9.617 1.00 1.00 N ATOM 536 CA TRP A 99 16.873 -1.570 8.265 1.00 1.00 C ATOM 537 C TRP A 99 16.040 -2.407 7.292 1.00 1.00 C ATOM 538 O TRP A 99 15.401 -3.379 7.694 1.00 1.00 O ATOM 539 CB TRP A 99 18.380 -1.742 8.061 1.00 1.00 C ATOM 540 CG TRP A 99 19.213 -0.554 8.548 1.00 1.00 C ATOM 541 CD1 TRP A 99 19.252 -0.022 9.777 1.00 1.00 C ATOM 542 CD2 TRP A 99 20.130 0.233 7.759 1.00 1.00 C ATOM 543 NE1 TRP A 99 20.125 1.046 9.839 1.00 1.00 N ATOM 544 CE2 TRP A 99 20.676 1.206 8.573 1.00 1.00 C ATOM 545 CE3 TRP A 99 20.488 0.127 6.404 1.00 1.00 C ATOM 546 CZ2 TRP A 99 21.610 2.146 8.123 1.00 1.00 C ATOM 547 CZ3 TRP A 99 21.423 1.074 5.969 1.00 1.00 C ATOM 548 CH2 TRP A 99 21.981 2.059 6.775 1.00 1.00 C ATOM 0 H TRP A 99 16.381 -2.937 9.775 1.00 1.00 H new ATOM 0 HA TRP A 99 16.672 -0.515 8.078 1.00 1.00 H new ATOM 0 HB2 TRP A 99 18.707 -2.641 8.584 1.00 1.00 H new ATOM 0 HB3 TRP A 99 18.577 -1.901 7.001 1.00 1.00 H new ATOM 0 HD1 TRP A 99 18.673 -0.383 10.614 1.00 1.00 H new ATOM 0 HE1 TRP A 99 20.328 1.613 10.662 1.00 1.00 H new ATOM 0 HE3 TRP A 99 20.074 -0.626 5.750 1.00 1.00 H new ATOM 0 HZ2 TRP A 99 22.022 2.898 8.779 1.00 1.00 H new ATOM 0 HZ3 TRP A 99 21.732 1.036 4.935 1.00 1.00 H new ATOM 0 HH2 TRP A 99 22.698 2.755 6.364 1.00 1.00 H new ATOM 559 N CYS A 100 16.073 -1.999 6.032 1.00 1.00 N ATOM 560 CA CYS A 100 15.328 -2.699 4.999 1.00 1.00 C ATOM 561 C CYS A 100 16.228 -2.839 3.770 1.00 1.00 C ATOM 562 O CYS A 100 17.000 -1.935 3.455 1.00 1.00 O ATOM 563 CB CYS A 100 14.015 -1.987 4.668 1.00 1.00 C ATOM 564 SG CYS A 100 13.083 -1.645 6.205 1.00 1.00 S ATOM 0 H CYS A 100 16.604 -1.193 5.703 1.00 1.00 H new ATOM 0 HA CYS A 100 15.047 -3.690 5.357 1.00 1.00 H new ATOM 0 HB2 CYS A 100 14.220 -1.054 4.142 1.00 1.00 H new ATOM 0 HB3 CYS A 100 13.415 -2.605 3.999 1.00 1.00 H new ATOM 0 HG CYS A 100 11.891 -2.156 6.113 1.00 1.00 H new ATOM 570 N GLU A 101 16.098 -3.980 3.109 1.00 1.00 N ATOM 571 CA GLU A 101 16.890 -4.250 1.921 1.00 1.00 C ATOM 572 C GLU A 101 16.213 -3.654 0.685 1.00 1.00 C ATOM 573 O GLU A 101 15.001 -3.778 0.516 1.00 1.00 O ATOM 574 CB GLU A 101 17.124 -5.752 1.747 1.00 1.00 C ATOM 575 CG GLU A 101 18.456 -6.023 1.046 1.00 1.00 C ATOM 576 CD GLU A 101 18.783 -7.517 1.047 1.00 1.00 C ATOM 577 OE1 GLU A 101 18.394 -8.183 2.031 1.00 1.00 O ATOM 578 OE2 GLU A 101 19.414 -7.961 0.064 1.00 1.00 O ATOM 0 H GLU A 101 15.457 -4.728 3.373 1.00 1.00 H new ATOM 0 HA GLU A 101 17.864 -3.776 2.042 1.00 1.00 H new ATOM 0 HB2 GLU A 101 17.116 -6.240 2.722 1.00 1.00 H new ATOM 0 HB3 GLU A 101 16.309 -6.186 1.167 1.00 1.00 H new ATOM 0 HG2 GLU A 101 18.412 -5.658 0.020 1.00 1.00 H new ATOM 0 HG3 GLU A 101 19.253 -5.473 1.546 1.00 1.00 H new ATOM 585 N ALA A 102 17.026 -3.020 -0.148 1.00 1.00 N ATOM 586 CA ALA A 102 16.521 -2.405 -1.363 1.00 1.00 C ATOM 587 C ALA A 102 17.451 -2.748 -2.528 1.00 1.00 C ATOM 588 O ALA A 102 18.538 -3.286 -2.322 1.00 1.00 O ATOM 589 CB ALA A 102 16.383 -0.896 -1.152 1.00 1.00 C ATOM 0 H ALA A 102 18.031 -2.919 -0.005 1.00 1.00 H new ATOM 0 HA ALA A 102 15.532 -2.792 -1.606 1.00 1.00 H new ATOM 0 HB1 ALA A 102 16.004 -0.434 -2.064 1.00 1.00 H new ATOM 0 HB2 ALA A 102 15.689 -0.705 -0.333 1.00 1.00 H new ATOM 0 HB3 ALA A 102 17.357 -0.472 -0.909 1.00 1.00 H new ATOM 595 N GLN A 103 16.991 -2.422 -3.727 1.00 1.00 N ATOM 596 CA GLN A 103 17.768 -2.689 -4.925 1.00 1.00 C ATOM 597 C GLN A 103 18.345 -1.388 -5.485 1.00 1.00 C ATOM 598 O GLN A 103 17.757 -0.320 -5.316 1.00 1.00 O ATOM 599 CB GLN A 103 16.924 -3.412 -5.977 1.00 1.00 C ATOM 600 CG GLN A 103 16.939 -4.924 -5.748 1.00 1.00 C ATOM 601 CD GLN A 103 18.065 -5.588 -6.543 1.00 1.00 C ATOM 602 OE1 GLN A 103 19.206 -5.159 -6.529 1.00 1.00 O ATOM 603 NE2 GLN A 103 17.681 -6.657 -7.235 1.00 1.00 N ATOM 0 H GLN A 103 16.089 -1.975 -3.894 1.00 1.00 H new ATOM 0 HA GLN A 103 18.596 -3.345 -4.658 1.00 1.00 H new ATOM 0 HB2 GLN A 103 15.898 -3.045 -5.940 1.00 1.00 H new ATOM 0 HB3 GLN A 103 17.307 -3.188 -6.973 1.00 1.00 H new ATOM 0 HG2 GLN A 103 17.067 -5.133 -4.686 1.00 1.00 H new ATOM 0 HG3 GLN A 103 15.980 -5.350 -6.044 1.00 1.00 H new ATOM 0 HE21 GLN A 103 16.709 -6.963 -7.203 1.00 1.00 H new ATOM 0 HE22 GLN A 103 18.359 -7.171 -7.798 1.00 1.00 H new ATOM 612 N THR A 104 19.489 -1.518 -6.140 1.00 1.00 N ATOM 613 CA THR A 104 20.152 -0.365 -6.726 1.00 1.00 C ATOM 614 C THR A 104 20.167 -0.476 -8.252 1.00 1.00 C ATOM 615 O THR A 104 19.955 -1.556 -8.801 1.00 1.00 O ATOM 616 CB THR A 104 21.549 -0.261 -6.111 1.00 1.00 C ATOM 617 OG1 THR A 104 21.333 0.398 -4.866 1.00 1.00 O ATOM 618 CG2 THR A 104 22.460 0.695 -6.885 1.00 1.00 C ATOM 0 H THR A 104 19.974 -2.405 -6.278 1.00 1.00 H new ATOM 0 HA THR A 104 19.613 0.556 -6.504 1.00 1.00 H new ATOM 0 HB THR A 104 22.005 -1.251 -6.078 1.00 1.00 H new ATOM 0 HG1 THR A 104 21.708 1.303 -4.905 1.00 1.00 H new ATOM 0 HG21 THR A 104 23.439 0.732 -6.407 1.00 1.00 H new ATOM 0 HG22 THR A 104 22.570 0.342 -7.910 1.00 1.00 H new ATOM 0 HG23 THR A 104 22.021 1.692 -6.890 1.00 1.00 H new ATOM 626 N LYS A 105 20.418 0.655 -8.893 1.00 1.00 N ATOM 627 CA LYS A 105 20.463 0.699 -10.345 1.00 1.00 C ATOM 628 C LYS A 105 21.103 -0.588 -10.870 1.00 1.00 C ATOM 629 O LYS A 105 20.488 -1.320 -11.644 1.00 1.00 O ATOM 630 CB LYS A 105 21.164 1.973 -10.821 1.00 1.00 C ATOM 631 CG LYS A 105 20.164 3.119 -10.990 1.00 1.00 C ATOM 632 CD LYS A 105 20.524 3.988 -12.196 1.00 1.00 C ATOM 633 CE LYS A 105 21.411 5.163 -11.778 1.00 1.00 C ATOM 634 NZ LYS A 105 21.247 6.295 -12.717 1.00 1.00 N ATOM 0 H LYS A 105 20.593 1.549 -8.434 1.00 1.00 H new ATOM 0 HA LYS A 105 19.455 0.745 -10.756 1.00 1.00 H new ATOM 0 HB2 LYS A 105 21.933 2.259 -10.103 1.00 1.00 H new ATOM 0 HB3 LYS A 105 21.668 1.783 -11.769 1.00 1.00 H new ATOM 0 HG2 LYS A 105 19.160 2.714 -11.116 1.00 1.00 H new ATOM 0 HG3 LYS A 105 20.151 3.731 -10.088 1.00 1.00 H new ATOM 0 HD2 LYS A 105 21.041 3.385 -12.942 1.00 1.00 H new ATOM 0 HD3 LYS A 105 19.614 4.363 -12.664 1.00 1.00 H new ATOM 0 HE2 LYS A 105 21.152 5.480 -10.768 1.00 1.00 H new ATOM 0 HE3 LYS A 105 22.455 4.849 -11.756 1.00 1.00 H new ATOM 0 HZ1 LYS A 105 21.856 7.084 -12.419 1.00 1.00 H new ATOM 0 HZ2 LYS A 105 21.516 5.993 -13.675 1.00 1.00 H new ATOM 0 HZ3 LYS A 105 20.254 6.605 -12.717 1.00 1.00 H new ATOM 648 N ASN A 106 22.329 -0.824 -10.428 1.00 1.00 N ATOM 649 CA ASN A 106 23.059 -2.010 -10.843 1.00 1.00 C ATOM 650 C ASN A 106 23.766 -2.620 -9.631 1.00 1.00 C ATOM 651 O ASN A 106 24.958 -2.918 -9.688 1.00 1.00 O ATOM 652 CB ASN A 106 24.123 -1.664 -11.887 1.00 1.00 C ATOM 653 CG ASN A 106 23.616 -0.591 -12.852 1.00 1.00 C ATOM 654 OD1 ASN A 106 23.771 0.600 -12.634 1.00 1.00 O ATOM 655 ND2 ASN A 106 23.004 -1.076 -13.928 1.00 1.00 N ATOM 0 H ASN A 106 22.836 -0.214 -9.786 1.00 1.00 H new ATOM 0 HA ASN A 106 22.345 -2.712 -11.274 1.00 1.00 H new ATOM 0 HB2 ASN A 106 25.026 -1.312 -11.388 1.00 1.00 H new ATOM 0 HB3 ASN A 106 24.395 -2.560 -12.445 1.00 1.00 H new ATOM 0 HD21 ASN A 106 22.630 -0.440 -14.632 1.00 1.00 H new ATOM 0 HD22 ASN A 106 22.908 -2.084 -14.049 1.00 1.00 H new ATOM 662 N GLY A 107 23.000 -2.787 -8.563 1.00 1.00 N ATOM 663 CA GLY A 107 23.539 -3.356 -7.339 1.00 1.00 C ATOM 664 C GLY A 107 22.433 -3.580 -6.306 1.00 1.00 C ATOM 665 O GLY A 107 21.278 -3.229 -6.541 1.00 1.00 O ATOM 0 H GLY A 107 22.012 -2.539 -8.520 1.00 1.00 H new ATOM 0 HA2 GLY A 107 24.032 -4.302 -7.560 1.00 1.00 H new ATOM 0 HA3 GLY A 107 24.297 -2.690 -6.927 1.00 1.00 H new ATOM 669 N GLN A 108 22.825 -4.164 -5.183 1.00 1.00 N ATOM 670 CA GLN A 108 21.881 -4.440 -4.113 1.00 1.00 C ATOM 671 C GLN A 108 22.603 -4.475 -2.764 1.00 1.00 C ATOM 672 O GLN A 108 23.681 -5.055 -2.649 1.00 1.00 O ATOM 673 CB GLN A 108 21.130 -5.748 -4.367 1.00 1.00 C ATOM 674 CG GLN A 108 19.783 -5.757 -3.642 1.00 1.00 C ATOM 675 CD GLN A 108 19.458 -7.154 -3.108 1.00 1.00 C ATOM 676 OE1 GLN A 108 20.208 -8.101 -3.274 1.00 1.00 O ATOM 677 NE2 GLN A 108 18.300 -7.228 -2.458 1.00 1.00 N ATOM 0 H GLN A 108 23.784 -4.454 -4.991 1.00 1.00 H new ATOM 0 HA GLN A 108 21.145 -3.636 -4.089 1.00 1.00 H new ATOM 0 HB2 GLN A 108 20.972 -5.878 -5.438 1.00 1.00 H new ATOM 0 HB3 GLN A 108 21.734 -6.590 -4.029 1.00 1.00 H new ATOM 0 HG2 GLN A 108 19.805 -5.044 -2.817 1.00 1.00 H new ATOM 0 HG3 GLN A 108 18.997 -5.432 -4.323 1.00 1.00 H new ATOM 0 HE21 GLN A 108 17.719 -6.396 -2.355 1.00 1.00 H new ATOM 0 HE22 GLN A 108 17.993 -8.117 -2.063 1.00 1.00 H new ATOM 686 N GLY A 109 21.979 -3.847 -1.779 1.00 1.00 N ATOM 687 CA GLY A 109 22.548 -3.800 -0.443 1.00 1.00 C ATOM 688 C GLY A 109 21.509 -3.336 0.580 1.00 1.00 C ATOM 689 O GLY A 109 20.308 -3.391 0.319 1.00 1.00 O ATOM 0 H GLY A 109 21.085 -3.366 -1.879 1.00 1.00 H new ATOM 0 HA2 GLY A 109 22.919 -4.787 -0.167 1.00 1.00 H new ATOM 0 HA3 GLY A 109 23.402 -3.123 -0.431 1.00 1.00 H new ATOM 693 N TRP A 110 22.009 -2.888 1.723 1.00 1.00 N ATOM 694 CA TRP A 110 21.139 -2.415 2.786 1.00 1.00 C ATOM 695 C TRP A 110 20.778 -0.958 2.488 1.00 1.00 C ATOM 696 O TRP A 110 21.469 -0.288 1.722 1.00 1.00 O ATOM 697 CB TRP A 110 21.796 -2.601 4.155 1.00 1.00 C ATOM 698 CG TRP A 110 21.526 -3.964 4.795 1.00 1.00 C ATOM 699 CD1 TRP A 110 22.392 -4.965 5.000 1.00 1.00 C ATOM 700 CD2 TRP A 110 20.263 -4.437 5.309 1.00 1.00 C ATOM 701 NE1 TRP A 110 21.783 -6.045 5.606 1.00 1.00 N ATOM 702 CE2 TRP A 110 20.447 -5.714 5.800 1.00 1.00 C ATOM 703 CE3 TRP A 110 19.007 -3.808 5.358 1.00 1.00 C ATOM 704 CZ2 TRP A 110 19.418 -6.470 6.374 1.00 1.00 C ATOM 705 CZ3 TRP A 110 17.989 -4.577 5.935 1.00 1.00 C ATOM 706 CH2 TRP A 110 18.158 -5.863 6.433 1.00 1.00 C ATOM 0 H TRP A 110 23.006 -2.843 1.936 1.00 1.00 H new ATOM 0 HA TRP A 110 20.220 -3.000 2.823 1.00 1.00 H new ATOM 0 HB2 TRP A 110 22.873 -2.467 4.051 1.00 1.00 H new ATOM 0 HB3 TRP A 110 21.441 -1.819 4.826 1.00 1.00 H new ATOM 0 HD1 TRP A 110 23.436 -4.931 4.725 1.00 1.00 H new ATOM 0 HE1 TRP A 110 22.231 -6.924 5.864 1.00 1.00 H new ATOM 0 HE3 TRP A 110 18.840 -2.810 4.980 1.00 1.00 H new ATOM 0 HZ2 TRP A 110 19.587 -7.468 6.751 1.00 1.00 H new ATOM 0 HZ3 TRP A 110 17.003 -4.140 5.997 1.00 1.00 H new ATOM 0 HH2 TRP A 110 17.321 -6.392 6.864 1.00 1.00 H new ATOM 717 N VAL A 111 19.697 -0.511 3.109 1.00 1.00 N ATOM 718 CA VAL A 111 19.236 0.854 2.921 1.00 1.00 C ATOM 719 C VAL A 111 18.320 1.244 4.082 1.00 1.00 C ATOM 720 O VAL A 111 17.350 0.546 4.374 1.00 1.00 O ATOM 721 CB VAL A 111 18.562 0.995 1.554 1.00 1.00 C ATOM 722 CG1 VAL A 111 17.132 0.451 1.590 1.00 1.00 C ATOM 723 CG2 VAL A 111 18.584 2.449 1.079 1.00 1.00 C ATOM 0 H VAL A 111 19.127 -1.070 3.743 1.00 1.00 H new ATOM 0 HA VAL A 111 20.079 1.545 2.926 1.00 1.00 H new ATOM 0 HB VAL A 111 19.129 0.401 0.838 1.00 1.00 H new ATOM 0 HG11 VAL A 111 16.675 0.563 0.607 1.00 1.00 H new ATOM 0 HG12 VAL A 111 17.151 -0.604 1.863 1.00 1.00 H new ATOM 0 HG13 VAL A 111 16.550 1.006 2.326 1.00 1.00 H new ATOM 0 HG21 VAL A 111 18.099 2.521 0.106 1.00 1.00 H new ATOM 0 HG22 VAL A 111 18.053 3.074 1.796 1.00 1.00 H new ATOM 0 HG23 VAL A 111 19.616 2.789 0.996 1.00 1.00 H new ATOM 733 N PRO A 112 18.670 2.387 4.732 1.00 1.00 N ATOM 734 CA PRO A 112 17.890 2.878 5.855 1.00 1.00 C ATOM 735 C PRO A 112 16.579 3.507 5.379 1.00 1.00 C ATOM 736 O PRO A 112 16.552 4.198 4.361 1.00 1.00 O ATOM 737 CB PRO A 112 18.801 3.866 6.564 1.00 1.00 C ATOM 738 CG PRO A 112 19.876 4.240 5.556 1.00 1.00 C ATOM 739 CD PRO A 112 19.812 3.239 4.415 1.00 1.00 C ATOM 0 HA PRO A 112 17.583 2.083 6.534 1.00 1.00 H new ATOM 0 HB2 PRO A 112 18.246 4.746 6.887 1.00 1.00 H new ATOM 0 HB3 PRO A 112 19.241 3.421 7.457 1.00 1.00 H new ATOM 0 HG2 PRO A 112 19.716 5.252 5.185 1.00 1.00 H new ATOM 0 HG3 PRO A 112 20.860 4.224 6.024 1.00 1.00 H new ATOM 0 HD2 PRO A 112 19.678 3.740 3.456 1.00 1.00 H new ATOM 0 HD3 PRO A 112 20.732 2.658 4.346 1.00 1.00 H new ATOM 747 N SER A 113 15.525 3.247 6.139 1.00 1.00 N ATOM 748 CA SER A 113 14.215 3.780 5.807 1.00 1.00 C ATOM 749 C SER A 113 14.156 5.272 6.144 1.00 1.00 C ATOM 750 O SER A 113 13.190 5.951 5.801 1.00 1.00 O ATOM 751 CB SER A 113 13.109 3.025 6.548 1.00 1.00 C ATOM 752 OG SER A 113 11.813 3.517 6.219 1.00 1.00 O ATOM 0 H SER A 113 15.552 2.675 6.983 1.00 1.00 H new ATOM 0 HA SER A 113 14.054 3.649 4.737 1.00 1.00 H new ATOM 0 HB2 SER A 113 13.167 1.965 6.303 1.00 1.00 H new ATOM 0 HB3 SER A 113 13.268 3.113 7.623 1.00 1.00 H new ATOM 0 HG SER A 113 11.889 4.426 5.862 1.00 1.00 H new ATOM 758 N ASN A 114 15.201 5.737 6.812 1.00 1.00 N ATOM 759 CA ASN A 114 15.280 7.135 7.199 1.00 1.00 C ATOM 760 C ASN A 114 15.500 7.993 5.952 1.00 1.00 C ATOM 761 O ASN A 114 15.109 9.159 5.920 1.00 1.00 O ATOM 762 CB ASN A 114 16.453 7.377 8.152 1.00 1.00 C ATOM 763 CG ASN A 114 15.988 8.088 9.424 1.00 1.00 C ATOM 764 OD1 ASN A 114 15.089 8.913 9.412 1.00 1.00 O ATOM 765 ND2 ASN A 114 16.647 7.724 10.520 1.00 1.00 N ATOM 0 H ASN A 114 16.000 5.170 7.095 1.00 1.00 H new ATOM 0 HA ASN A 114 14.348 7.400 7.699 1.00 1.00 H new ATOM 0 HB2 ASN A 114 16.917 6.426 8.412 1.00 1.00 H new ATOM 0 HB3 ASN A 114 17.214 7.977 7.653 1.00 1.00 H new ATOM 0 HD21 ASN A 114 16.410 8.142 11.420 1.00 1.00 H new ATOM 0 HD22 ASN A 114 17.390 7.027 10.461 1.00 1.00 H new ATOM 772 N TYR A 115 16.125 7.383 4.955 1.00 1.00 N ATOM 773 CA TYR A 115 16.401 8.077 3.709 1.00 1.00 C ATOM 774 C TYR A 115 15.354 7.734 2.647 1.00 1.00 C ATOM 775 O TYR A 115 15.365 8.299 1.554 1.00 1.00 O ATOM 776 CB TYR A 115 17.768 7.576 3.241 1.00 1.00 C ATOM 777 CG TYR A 115 18.951 8.301 3.886 1.00 1.00 C ATOM 778 CD1 TYR A 115 19.062 8.353 5.261 1.00 1.00 C ATOM 779 CD2 TYR A 115 19.906 8.904 3.093 1.00 1.00 C ATOM 780 CE1 TYR A 115 20.176 9.035 5.868 1.00 1.00 C ATOM 781 CE2 TYR A 115 21.019 9.587 3.700 1.00 1.00 C ATOM 782 CZ TYR A 115 21.099 9.619 5.057 1.00 1.00 C ATOM 783 OH TYR A 115 22.150 10.264 5.631 1.00 1.00 O ATOM 0 H TYR A 115 16.448 6.416 4.985 1.00 1.00 H new ATOM 0 HA TYR A 115 16.380 9.157 3.858 1.00 1.00 H new ATOM 0 HB2 TYR A 115 17.846 6.511 3.457 1.00 1.00 H new ATOM 0 HB3 TYR A 115 17.833 7.687 2.159 1.00 1.00 H new ATOM 0 HD1 TYR A 115 18.314 7.882 5.881 1.00 1.00 H new ATOM 0 HD2 TYR A 115 19.819 8.864 2.017 1.00 1.00 H new ATOM 0 HE1 TYR A 115 20.276 9.082 6.942 1.00 1.00 H new ATOM 0 HE2 TYR A 115 21.773 10.063 3.091 1.00 1.00 H new ATOM 0 HH TYR A 115 22.730 10.632 4.932 1.00 1.00 H new ATOM 793 N ILE A 116 14.475 6.809 3.005 1.00 1.00 N ATOM 794 CA ILE A 116 13.424 6.384 2.096 1.00 1.00 C ATOM 795 C ILE A 116 12.063 6.620 2.752 1.00 1.00 C ATOM 796 O ILE A 116 11.978 6.811 3.964 1.00 1.00 O ATOM 797 CB ILE A 116 13.652 4.937 1.654 1.00 1.00 C ATOM 798 CG1 ILE A 116 15.103 4.718 1.220 1.00 1.00 C ATOM 799 CG2 ILE A 116 12.660 4.536 0.560 1.00 1.00 C ATOM 800 CD1 ILE A 116 15.472 3.234 1.271 1.00 1.00 C ATOM 0 H ILE A 116 14.469 6.342 3.912 1.00 1.00 H new ATOM 0 HA ILE A 116 13.445 6.979 1.183 1.00 1.00 H new ATOM 0 HB ILE A 116 13.470 4.286 2.509 1.00 1.00 H new ATOM 0 HG12 ILE A 116 15.245 5.097 0.208 1.00 1.00 H new ATOM 0 HG13 ILE A 116 15.770 5.285 1.869 1.00 1.00 H new ATOM 0 HG21 ILE A 116 12.843 3.503 0.263 1.00 1.00 H new ATOM 0 HG22 ILE A 116 11.642 4.629 0.939 1.00 1.00 H new ATOM 0 HG23 ILE A 116 12.787 5.189 -0.303 1.00 1.00 H new ATOM 0 HD11 ILE A 116 16.508 3.106 0.958 1.00 1.00 H new ATOM 0 HD12 ILE A 116 15.352 2.864 2.289 1.00 1.00 H new ATOM 0 HD13 ILE A 116 14.819 2.673 0.602 1.00 1.00 H new ATOM 812 N THR A 117 11.030 6.598 1.923 1.00 1.00 N ATOM 813 CA THR A 117 9.676 6.807 2.407 1.00 1.00 C ATOM 814 C THR A 117 8.698 5.895 1.665 1.00 1.00 C ATOM 815 O THR A 117 8.961 5.482 0.537 1.00 1.00 O ATOM 816 CB THR A 117 9.347 8.295 2.264 1.00 1.00 C ATOM 817 OG1 THR A 117 7.938 8.320 2.053 1.00 1.00 O ATOM 818 CG2 THR A 117 9.926 8.902 0.985 1.00 1.00 C ATOM 0 H THR A 117 11.103 6.438 0.918 1.00 1.00 H new ATOM 0 HA THR A 117 9.587 6.539 3.460 1.00 1.00 H new ATOM 0 HB THR A 117 9.731 8.836 3.129 1.00 1.00 H new ATOM 0 HG1 THR A 117 7.639 9.248 1.951 1.00 1.00 H new ATOM 0 HG21 THR A 117 9.664 9.959 0.933 1.00 1.00 H new ATOM 0 HG22 THR A 117 11.011 8.797 0.991 1.00 1.00 H new ATOM 0 HG23 THR A 117 9.517 8.383 0.118 1.00 1.00 H new ATOM 826 N PRO A 118 7.559 5.598 2.347 1.00 1.00 N ATOM 827 CA PRO A 118 6.539 4.742 1.765 1.00 1.00 C ATOM 828 C PRO A 118 5.744 5.488 0.692 1.00 1.00 C ATOM 829 O PRO A 118 5.979 6.671 0.450 1.00 1.00 O ATOM 830 CB PRO A 118 5.682 4.298 2.939 1.00 1.00 C ATOM 831 CG PRO A 118 5.966 5.284 4.060 1.00 1.00 C ATOM 832 CD PRO A 118 7.213 6.069 3.685 1.00 1.00 C ATOM 0 HA PRO A 118 6.959 3.880 1.247 1.00 1.00 H new ATOM 0 HB2 PRO A 118 4.625 4.302 2.674 1.00 1.00 H new ATOM 0 HB3 PRO A 118 5.931 3.281 3.241 1.00 1.00 H new ATOM 0 HG2 PRO A 118 5.120 5.956 4.201 1.00 1.00 H new ATOM 0 HG3 PRO A 118 6.115 4.758 5.003 1.00 1.00 H new ATOM 0 HD2 PRO A 118 7.022 7.142 3.690 1.00 1.00 H new ATOM 0 HD3 PRO A 118 8.023 5.886 4.391 1.00 1.00 H new ATOM 840 N VAL A 119 4.818 4.766 0.078 1.00 1.00 N ATOM 841 CA VAL A 119 3.987 5.345 -0.964 1.00 1.00 C ATOM 842 C VAL A 119 2.583 5.596 -0.409 1.00 1.00 C ATOM 843 O VAL A 119 1.686 6.008 -1.143 1.00 1.00 O ATOM 844 CB VAL A 119 3.989 4.441 -2.198 1.00 1.00 C ATOM 845 CG1 VAL A 119 2.973 4.925 -3.234 1.00 1.00 C ATOM 846 CG2 VAL A 119 5.390 4.347 -2.806 1.00 1.00 C ATOM 0 H VAL A 119 4.625 3.785 0.282 1.00 1.00 H new ATOM 0 HA VAL A 119 4.388 6.307 -1.282 1.00 1.00 H new ATOM 0 HB VAL A 119 3.693 3.441 -1.881 1.00 1.00 H new ATOM 0 HG11 VAL A 119 2.995 4.265 -4.101 1.00 1.00 H new ATOM 0 HG12 VAL A 119 1.975 4.916 -2.796 1.00 1.00 H new ATOM 0 HG13 VAL A 119 3.224 5.939 -3.544 1.00 1.00 H new ATOM 0 HG21 VAL A 119 5.364 3.699 -3.682 1.00 1.00 H new ATOM 0 HG22 VAL A 119 5.726 5.341 -3.101 1.00 1.00 H new ATOM 0 HG23 VAL A 119 6.079 3.934 -2.069 1.00 1.00 H new ATOM 856 N SER A 120 2.436 5.337 0.882 1.00 1.00 N ATOM 857 CA SER A 120 1.157 5.529 1.543 1.00 1.00 C ATOM 858 C SER A 120 1.198 6.794 2.403 1.00 1.00 C ATOM 859 O SER A 120 2.150 6.906 3.204 1.00 1.00 O ATOM 860 CB SER A 120 0.793 4.316 2.401 1.00 1.00 C ATOM 861 OG SER A 120 0.757 3.114 1.638 1.00 1.00 O ATOM 862 OXT SER A 120 0.322 7.651 2.294 1.00 1.00 O ATOM 0 H SER A 120 3.182 4.996 1.488 1.00 1.00 H new ATOM 0 HA SER A 120 0.389 5.642 0.777 1.00 1.00 H new ATOM 0 HB2 SER A 120 1.519 4.212 3.208 1.00 1.00 H new ATOM 0 HB3 SER A 120 -0.179 4.479 2.866 1.00 1.00 H new ATOM 0 HG SER A 120 0.523 2.363 2.222 1.00 1.00 H new